SCHEMBL7906552

SCHEMBL7906552

COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCN(C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.49
CSNK1D P48730 1/20 0.48
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SLC2A1 P11166 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR9 Q9NR96 1/20 0.38
SMPD3 Q9NY59 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3184692 0.69 ALDH1A1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL1555585 0.68 CCNA2 (0.46) HTTALDH1A1MEN1KMT2ASMPD3
SCHEMBL14813505 0.67 HTT (0.44) HTTALDH1A1MEN1KMT2ASMPD3
SCHEMBL31465821 0.67 RET (0.49) ALDH1A1MEN1KMT2A
SCHEMBL28667202 0.66 GPR119 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL17310093 0.66 SUV39H2 (0.49) ALDH1A1SLC2A1MEN1KMT2ATLR9
SCHEMBL28962607 0.66 CKS1B (0.47) ALDH1A1SLC2A1TLR9
SCHEMBL2366187 0.65 GBA1 (0.47) ALDH1A1MEN1KMT2ATLR9SMPD3
SCHEMBL5683408 0.65 ABCB1 (0.60) ALDH1A1MEN1KMT2A
SCHEMBL18653361 0.65

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010062559-A1 SUBSTITUTED PYRAZOLOQUINOLINES AND DERIVATIVES THEREOF SCHERING CORPORATION (US) 2010-06-03 WO disclosed